N,N-bis(propan-2-yl)-2-{pyrazolo[1,5-a]pyrimidin-3-yl}benzamide

• ChemBase ID: 785631
• Molecular Formular: C19H22N4O
• Molecular Mass: 322.40418
• Monoisotopic Mass: 322.17936134
• SMILES: c1(c2n(nc1)cccn2)c1c(C(=O)N(C(C)C)C(C)C)cccc1
• Canonical SMILES: CC(N(C(=O)c1ccccc1c1cnn2c1nccc2)C(C)C)C
• InChI: InChI=1S/C19H22N4O/c1-13(2)23(14(3)4)19(24)16-9-6-5-8-15(16)17-12-21-22-11-7-10-20-18(17)22/h5-14H,1-4H3
• InChIKey: SKNMNPHJVAMFBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-bis(propan-2-yl)-2-{pyrazolo[1,5-a]pyrimidin-3-yl}benzamide
• IUPAC Traditional name: N,N-diisopropyl-2-{pyrazolo[1,5-a]pyrimidin-3-yl}benzamide
• Synonyms: N,N-diisopropyl-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1449432
• LogD (pH = 7.4): 3.144956
• Log P: 3.1449564
• Molar Refractivity: 106.1164 cm^3
• Polarizability: 37.24093 Å^3
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.98
• LOG S: -2.39
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 4